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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1GI9 | Ki = 1.1 uM | 123 | C15 H15 N4 O2 | COc1ccc(c(.... |
2 | 1O5A | Ki = 0.38 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
3 | 1GJA | Ki = 3.8 uM | 135 | C14 H13 N3 O2 | [H]/N=C(c1.... |
4 | 1C5X | Ki = 0.21 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
5 | 1GJB | Ki = 0.45 uM | 130 | C20 H16 N4 O | [H]/N=C(c1.... |
6 | 1C5Z | Ki = 97 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
7 | 3IG6 | ic50 = 0.025 uM | 438 | C33 H35 F2 N5 O4 | CN(C)c1ccc.... |
8 | 1O3P | Ki = 0.22 uM | 655 | C19 H20 N4 O2 | c1cc(c(c(c.... |
9 | 1GJ7 | Ki = 0.009 uM | 132 | C21 H17 Cl N3 O | c1ccc(cc1).... |
10 | 1C5W | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
11 | 1GJD | Ki = 6 uM | 136 | C15 H13 Cl I N3 O2 | [H]/N=C(c1.... |
12 | 1O5C | Ki = 6 uM | CR9 | C21 H23 F N4 O2 | C[C@H]1CCC.... |
13 | 1C5Y | Ki = 63 uM | ESP | C8 H8 N3 S | c1cc2cc(sc.... |
14 | 1GJC | Ki = 0.45 uM | 130 | C20 H16 N4 O | [H]/N=C(c1.... |
15 | 1GJ9 | Ki = 0.011 uM | 134 | C22 H24 F N3 O2 | [H]/N=C(c1.... |
16 | 1GJ8 | Ki = 0.11 uM | 133 | C18 H19 F N4 O2 | [H]/N=C(c1.... |
17 | 1O5B | Ki = 1.7 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
18 | 1GI7 | Ki = 31 uM | 120 | C13 H12 N5 O | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1GI9 | Ki = 1.1 uM | 123 | C15 H15 N4 O2 | COc1ccc(c(.... |
2 | 1O5A | Ki = 0.38 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
3 | 1GJA | Ki = 3.8 uM | 135 | C14 H13 N3 O2 | [H]/N=C(c1.... |
4 | 1C5X | Ki = 0.21 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
5 | 1GJB | Ki = 0.45 uM | 130 | C20 H16 N4 O | [H]/N=C(c1.... |
6 | 1C5Z | Ki = 97 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
7 | 3IG6 | ic50 = 0.025 uM | 438 | C33 H35 F2 N5 O4 | CN(C)c1ccc.... |
8 | 1O3P | Ki = 0.22 uM | 655 | C19 H20 N4 O2 | c1cc(c(c(c.... |
9 | 1GJ7 | Ki = 0.009 uM | 132 | C21 H17 Cl N3 O | c1ccc(cc1).... |
10 | 1C5W | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
11 | 1GJD | Ki = 6 uM | 136 | C15 H13 Cl I N3 O2 | [H]/N=C(c1.... |
12 | 1O5C | Ki = 6 uM | CR9 | C21 H23 F N4 O2 | C[C@H]1CCC.... |
13 | 1C5Y | Ki = 63 uM | ESP | C8 H8 N3 S | c1cc2cc(sc.... |
14 | 1GJC | Ki = 0.45 uM | 130 | C20 H16 N4 O | [H]/N=C(c1.... |
15 | 1GJ9 | Ki = 0.011 uM | 134 | C22 H24 F N3 O2 | [H]/N=C(c1.... |
16 | 1GJ8 | Ki = 0.11 uM | 133 | C18 H19 F N4 O2 | [H]/N=C(c1.... |
17 | 1O5B | Ki = 1.7 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
18 | 1GI7 | Ki = 31 uM | 120 | C13 H12 N5 O | c1cc2c(cc1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 696 | 0.9964 |
2 | 132 | 0.9659 |
3 | 656 | 0.9455 |
4 | CR3 | 0.9264 |
5 | UQG | 0.9240 |
6 | 133 | 0.9186 |
7 | 678 | 0.9122 |
8 | CR9 | 0.9122 |
9 | LI3 | 0.9117 |
10 | 785 | 0.9108 |
11 | F13 | 0.9102 |
12 | 762 | 0.9020 |
13 | 3G9 | 0.9007 |
14 | 0BY | 0.9004 |
15 | 972 | 0.8987 |
16 | 477 | 0.8976 |
17 | 950 | 0.8971 |
18 | DN6 | 0.8939 |
19 | UQD | 0.8902 |
20 | KK7 | 0.8886 |
21 | 0BX | 0.8885 |
22 | N4N | 0.8884 |
23 | ZQC | 0.8878 |
24 | 01I | 0.8845 |
25 | QYD | 0.8839 |
26 | DN8 | 0.8811 |
27 | 41O | 0.8791 |
28 | 6WN | 0.8790 |
29 | J8Y | 0.8776 |
30 | 0J6 | 0.8768 |
31 | BER | 0.8766 |
32 | BAK | 0.8757 |
33 | J2Q | 0.8746 |
34 | 991 | 0.8745 |
35 | 134 | 0.8737 |
36 | DN3 | 0.8733 |
37 | 6SQ | 0.8731 |
38 | BAI | 0.8725 |
39 | 3DL | 0.8692 |
40 | JL9 | 0.8691 |
41 | 0VN | 0.8688 |
42 | 3Q1 | 0.8675 |
43 | 745 | 0.8661 |
44 | J2W | 0.8650 |
45 | 123 | 0.8641 |
46 | 520 | 0.8628 |
47 | 304 | 0.8626 |
48 | 6WV | 0.8575 |
49 | HHW | 0.8568 |
50 | DWW | 0.8552 |
51 | 9AW | 0.8543 |
52 | NZO | 0.8533 |
53 | 6WM | 0.8527 |
54 | 907 | 0.8507 |